CAS No.7735-42-4,1,16-HEXADECANEDIOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7735-42-4
Name:	1,16-HEXADECANEDIOL
Article Data:	33

Formula:	C₁₆H₃₄O₂
Molecular Weight:	258.445
Synonyms:	1,16-Hexadecanediol;
EINECS:	231-794-9
Density:	0.898g/cm³
Melting Point:	91-94 °C(lit.)
Boiling Point:	361.9°Cat760mmHg
Flash Point:	164.9°C
Hazard Symbols:
Risk Codes:	R38
Safety:	36/37
PSA:	40.46000
LogP:	4.43240

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Specification

The 1,16-Hexydecanediol with its cas register number is 7735-42-4. It also can be called as Hexadecane-1,16-diol and the IUPAC Name about this chemical is hexadecane-1,16-diol. It belongs to the following product categories, such as alpha,omega-Alkanediols, alpha,omega-Bifunctional Alkanes, Monofunctional & alpha,omega-Bifunctional Alkanes and so on. This chemical is irritating to skin. When you are using it, wear suitable protective clothing and gloves.

Physical properties about 1,16-Hexydecanediol are: (1)ACD/LogP: 5.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5711.7; (6)ACD/BCF (pH 7.4): 5711.7; (7)ACD/KOC (pH 5.5): 17009.23; (8)ACD/KOC (pH 7.4): 17009.23; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 18.46Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 79.24 cm³; (15)Molar Volume: 287.6 cm³; (16)Polarizability: 31.41x10^-24cm³; (17)Surface Tension: 35.5 dyne/cm; (18)Enthalpy of Vaporization: 70.35 kJ/mol; (19)Vapour Pressure: 1.07E-06 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCCCCCCCO)CCCCCCCO
(2)InChI: InChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
(3)InChIKey: GJBXIPOYHVMPQJ-UHFFFAOYSA-N